SCHEMBL4012116

SCHEMBL4012116

Cc1cc(CNc2ncc(Br)c(Nc3cc(OC(C)C)[nH]n3)n2)on1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 19/20 0.74
FGFR1 P11362 10/20 0.74
KDR P35968 10/20 0.74
INSR P06213 5/20 0.74
NTRK1 P04629 1/20 0.67
CDK2 P24941 1/20 0.67
NTRK2 Q16620 1/20 0.67

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4009835 0.87 IGF1R (0.69) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL3871585 0.86 IGF1R (0.78) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL2121493 0.85 IGF1R (1.00) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL2124412 0.83 IGF1R (0.85) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL2123193 0.82 IGF1R (0.78) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL3865429 0.81 IGF1R (1.00) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL4016135 0.81 IGF1R (0.64) IGF1RFGFR1KDR
SCHEMBL2121473 0.80 NTRK1 (1.00) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL4009761 0.80 IGF1R (0.60) IGF1RFGFR1KDRINSR
SCHEMBL4010342 0.78 IGF1R (0.72) IGF1RFGFR1KDRINSRNTRK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 IGF1R 3217/4885FGFR1 1428/4885KDR 3815/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.